5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide

C16H26BrN5O2 — CID 10894643

IUPAC5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C)C[C@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1
InChIInChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1
InChIKeyFKDXBULKZKICQO-NSHDSACASA-N
MW400.32 g/mol
LogP1.26
Rot. Bonds5

About 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide

5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide (PubChem CID 10894643) has the molecular formula C16H26BrN5O2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
PubChem CID10894643
Molecular FormulaC16H26BrN5O2
Molecular Weight400.32 g/mol
Exact Mass399.13
IUPAC Name5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C)C[C@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1
InChIInChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1
InChIKeyFKDXBULKZKICQO-NSHDSACASA-N
XLogP1.26
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ROCK inhibitor 3
CID 46182713
5-Bromo-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 21852725
5-Bromo-2-methoxy-6-methylamino-N-(1-methyl-4-propyl-[1,4]diazepan-6-yl)-nicotinamide
CID 44375747
5-Bromo-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10862569
5-Chloro-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10915622
5-Chloro-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 11760413
5-Bromo-N-(1-ethyl-4-propyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 44375753
5-Bromo-N-((R)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 9843910
6-Amino-5-chloro-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 10860791
5-Bromo-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 10905751
5-Chloro-N-(1,4-dimethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10925901
5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10937177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide (CID 10894643) is 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide is CCN1CCN(C)C[C@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1.
What is the InChIKey of 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is FKDXBULKZKICQO-NSHDSACASA-N. The full InChI is InChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1.
What are the key properties of 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 400.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10894643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).